titanium(4+); 2,4,4-tributoxy-2-methyl-3-oxidanylidene-butanoate

Systemtic Name: titanium(4+); 2,4,4-tributoxy-2-methyl-3-oxidanylidene-butanoate Openeye Name: titanium(4+); 2,4,4-tributoxy-2-methyl-3-oxo-butanoate CAS Name: titanium(4+); 2,4,4-tributoxy-2-methyl-3-oxobutanoate IUPAC Name: titanium(4+); 2,4,4-tributoxy-2-methyl-3-oxobutanoate Traditional Name: titanium(4+); 2,4,4-tributoxy-3-keto-2-methyl-butyrate Formula: C68H124O24Ti MolecularWeight: 1373.56476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.[Ti+4]

Isomeric SMILES

CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.CCCCOC(C(=O)C(C)(C(=O)[O-])OCCCC)OCCCC.[Ti+4]

InChI

InChI=1S/4C17H32O6.Ti/c4*1-5-8-11-21-15(22-12-9-6-2)14(18)17(4,16(19)20)23-13-10-7-3;/h4*15H,5-13H2,1-4H3,(H,19,20);/q;;;;+4/p-4